SCHEMBL22728797

SCHEMBL22728797

COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)NCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
MEN1 O00255 3/20 0.74
GAA P10253 1/20 0.70
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
KDM1A O60341 2/20 0.63
GRIN2D O15399 4/20 0.61
GRIN3B O60391 4/20 0.61
GRIN1 Q05586 4/20 0.61
GRIN2A Q12879 4/20 0.61
GRIN2B Q13224 4/20 0.61
GRIN2C Q14957 4/20 0.61
GRIN3A Q8TCU5 4/20 0.61
MAOA P21397 2/20 0.57
TSHR P16473 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11713299 1.00 KMT2A (0.74) KMT2AMEN1GAACA1CA2
SCHEMBL7850864 0.87 KMT2A (0.76) KMT2AMEN1GAACA1CA2
SCHEMBL28682324 0.87 KMT2A (0.76) KMT2AMEN1GAACA1CA2
SCHEMBL16979273 0.86 KMT2A (0.67) KMT2AMEN1GAACA1CA2
SCHEMBL11711099 0.86 KMT2A (0.74) KMT2AMEN1GAACA1CA2
SCHEMBL30789064 0.86 KMT2A (0.74) KMT2AMEN1GAACA1CA2
SCHEMBL15558738 0.86 KMT2A (0.74) KMT2AMEN1GAACA1CA2
SCHEMBL24724688 0.85 KMT2A (0.74) KMT2AMEN1GAACA1CA2
SCHEMBL14646680 0.85 KMT2A (1.00) KMT2AMEN1GAACA1CA2
SCHEMBL7849270 0.85 KMT2A (1.00) KMT2AMEN1GAACA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235082-A1 CATALYSTS THE UNIVERSITY OF WARWICK (GB) 2022-07-28 US disclosed
WO-2020240178-A1 CATALYSTS GoldenKeys High-tech Materials Co., Ltd. (CN) 2020-12-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220235082-A1 CATALYSTS TST, TCP1, CCT3 KMT2A 3433/4885MEN1 1735/4885GAA 941/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.